N2-(2-azanylethyl)-N1-(4-methylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(4-methylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(p-tolyl)-4-(4-pyridylmethyl)piperazine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(4-methylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(4-methylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(p-tolyl)-4-(4-pyridylmethyl)piperazine-1,2-dicarboxamide Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2C(=O)NCCN)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2C(=O)NCCN)CC3=CC=NC=C3

InChI

InChI=1S/C21H28N6O2/c1-16-2-4-18(5-3-16)25-21(29)27-13-12-26(14-17-6-9-23-10-7-17)15-19(27)20(28)24-11-8-22/h2-7,9-10,19H,8,11-15,22H2,1H3,(H,24,28)(H,25,29)